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DocumentationIdentifier: MM404520
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM404520 |
| SMILES |
C#CC(C#C)NCCNC
|
| InChIKey |
ABMACRVCHIGDCY-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
-0.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM166267
Similarity: 0.8906
Similarity to MM166267
| Tanimoto metric | 0.8906 |
|---|---|
| Cosine metric | 0.9437 |
| Dice metric | 0.9421 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199396
Similarity: 0.875
Similarity to MM199396
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM72701
Similarity: 0.8636
Similarity to MM72701
| Tanimoto metric | 0.8636 |
|---|---|
| Cosine metric | 0.9276 |
| Dice metric | 0.9268 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+145 more
